5,7-Dibromo-1-indanone

Base Information

• Chemical Name: 5,7-Dibromo-1-indanone
• CAS No.: 923977-18-8
• Molecular Formula: C₉H₆Br₂O
• Molecular Weight: 289.954
• Hs Code.: 2914700090
• European Community (EC) Number: 663-789-6
• DSSTox Substance ID: DTXSID90581297
• Nikkaji Number: J2.410.632B
• Wikidata: Q82472373
• Mol file: 923977-18-8.mol

Synonyms:5,7-Dibromo-1-indanone;923977-18-8;5,7-dibromo-2,3-dihydroinden-1-one;5,7-dibromo-2,3-dihydro-1H-inden-1-one;DTXSID90581297;5,7-Dibromo-1-indanone, 97%;YLB97718;MFCD11707100;AKOS025403202;DS-10015;CS-0187087;A844222;5,7-dibromoindan-1-one;5,7-DIBROMO-1-INDANONE

Chemical Property of 5,7-Dibromo-1-indanone

Chemical Property:

• Melting Point: 148℃
• PSA: 17.07000
• LogP: 3.34050
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 289.87649
• Heavy Atom Count: 12
• Complexity: 205

Purity/Quality:

97% ^*data from raw suppliers

5,7-Dibromo-1-indanone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)C2=C1C=C(C=C2Br)Br

Technology Process of 5,7-Dibromo-1-indanone

There total 3 articles about 5,7-Dibromo-1-indanone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

3-(3,5-dibromo-phenyl)-propionic acid (923977-15-5) → 5,7-dibromo-indan-1-one (923977-18-8)

Guidance literature:

With chlorosulfonic acid; at 0 ℃; for 1h;

DOI:10.1016/j.tet.2006.10.065

Reference yield:

5-(3,5-dibromo-benzyl)-2,2-dimethyl-[1,3]dioxane-4,6-dione (923977-10-0) → 5,7-dibromo-indan-1-one (923977-18-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / H₂O / acetonitrile / 0.5 h / 120 °C / microwave irradiation

2: 99 percent / chlorosulfonic acid / 1 h / 0 °C

With chlorosulfonic acid; water; In acetonitrile; 2: Friedel-Crafts reaction;

DOI:10.1016/j.tet.2006.10.065

Reference yield:

3,5-dibromobenzaldehyde (56990-02-4) → 5,7-dibromo-indan-1-one (923977-18-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 85 percent / triethylammonium formate

2: 100 percent / H₂O / acetonitrile / 0.5 h / 120 °C / microwave irradiation

3: 99 percent / chlorosulfonic acid / 1 h / 0 °C

With chlorosulfonic acid; water; triethylammonium formate; In acetonitrile; 3: Friedel-Crafts reaction;

DOI:10.1016/j.tet.2006.10.065

upstream raw materials:

3-(3,5-dibromo-phenyl)-propionic acid

5-(3,5-dibromo-benzyl)-2,2-dimethyl-[1,3]dioxane-4,6-dione

3,5-dibromobenzaldehyde

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